Density functional theory study of sulfur tolerance of CO adsorption and dissociation on Rh–Ni binary metals

2010 ◽  
Vol 389 (1-2) ◽  
pp. 122-130 ◽  
Author(s):  
Kyungtae Lee ◽  
Chunshan Song ◽  
Michael J. Janik
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Co Adsorption ◽  
Density Functional Theory Study ◽  
Sulfur Tolerance ◽  
Functional Theory ◽  
Adsorption And Dissociation

Density Functional Theory Study of CO Adsorption and Dissociation on Molybdenum(100)

2007 ◽  
Vol 111 (36) ◽  
pp. 13473-13480 ◽  
Author(s):  
Freek J. E. Scheijen ◽  
J. W. (Hans) Niemantsverdriet ◽  
Daniel Curulla Ferré
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Co Adsorption ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Adsorption And Dissociation

Mechanism of coverage dependent CO adsorption and dissociation on the Mo(100) surface

2017 ◽  
Vol 19 (3) ◽  
pp. 2186-2192 ◽  
Author(s):  
Xinxin Tian ◽  
Tao Wang ◽  
Haijun Jiao
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Co Adsorption ◽  
Functional Theory ◽  
Adsorption And Dissociation

The mechanism of coverage dependent CO adsorption and dissociation on the Mo(100) surface was investigated using periodic density functional theory.

CO Adsorption on Au(332): Combined Infrared Spectroscopy and Density Functional Theory Study

2018 ◽  
Vol 123 (13) ◽  
pp. 8187-8197 ◽  
Author(s):  
Christoph D. Feldt ◽  
Raphaell Moreira ◽  
Eric Meyer ◽  
Peter Clawin ◽  
Wiebke Riedel ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Infrared Spectroscopy ◽  
Density Functional ◽  
Co Adsorption ◽  
Density Functional Theory Study ◽  
Functional Theory
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